USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 119:sc= -0.555 USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= 0.177 USER MOD Set 2.1: A 19 GLN : amide:sc= -5.03! C(o=-5.4!,f=-3.9!) USER MOD Set 2.2: A 30 GLN : amide:sc= 0.199 K(o=-5.4,f=-3.9) USER MOD Set 2.3: A 31 GLN : amide:sc= -0.168 K(o=-5.4,f=-4.8) USER MOD Set 2.4: A 34 GLN : amide:sc= -0.384 K(o=-5.4,f=-4.9) USER MOD Set 3.1: A 3 THR OG1 : rot 150:sc= -0.458 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 1 MET CE :methyl 136:sc= -0.146 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.183 (180deg=0.183) USER MOD Single : A 2 GLN : amide:sc=-0.00418 X(o=-0.0042,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= -0.0111 (180deg=-0.207) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -145:sc= 0 (180deg=-2.01) USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.926 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 170:sc= -1.62! USER MOD Single : A 41 THR OG1 : rot -144:sc= -2.83! USER MOD Single : A 42 LYS NZ :NH3+ 127:sc= 0.00664 (180deg=-0.0432) USER MOD Single : A 52 MET CE :methyl -177:sc=-0.00656 (180deg=-0.0226) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= -0.187 USER MOD Single : A 62 GLN : amide:sc= -3.39! C(o=-3.4!,f=-2.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 139:sc= -4.35! (180deg=-4.69!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.063 12.406 5.150 1.00 0.00 N ATOM 2 CA MET A 1 0.460 11.571 4.077 1.00 0.00 C ATOM 3 C MET A 1 1.383 11.136 2.925 1.00 0.00 C ATOM 4 O MET A 1 1.249 10.036 2.390 1.00 0.00 O ATOM 5 CB MET A 1 -0.769 12.324 3.545 1.00 0.00 C ATOM 6 CG MET A 1 -1.731 11.392 2.825 1.00 0.00 C ATOM 7 SD MET A 1 -2.409 10.086 3.906 1.00 0.00 S ATOM 8 CE MET A 1 -3.718 9.538 2.837 1.00 0.00 C ATOM 0 H1 MET A 1 0.340 12.631 5.863 1.00 0.00 H new ATOM 0 H2 MET A 1 1.842 11.884 5.600 1.00 0.00 H new ATOM 0 H3 MET A 1 1.429 13.288 4.739 1.00 0.00 H new ATOM 0 HA MET A 1 0.205 10.618 4.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.285 12.810 4.373 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.447 13.111 2.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.553 11.977 2.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.216 10.928 1.984 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.746 8.448 2.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.671 9.921 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.542 9.908 1.827 1.00 0.00 H new ATOM 9 N GLN A 2 2.434 11.922 2.750 1.00 0.00 N ATOM 10 CA GLN A 2 3.361 11.830 1.619 1.00 0.00 C ATOM 11 C GLN A 2 4.482 10.803 1.881 1.00 0.00 C ATOM 12 O GLN A 2 5.639 11.133 2.148 1.00 0.00 O ATOM 13 CB GLN A 2 3.892 13.240 1.387 1.00 0.00 C ATOM 14 CG GLN A 2 4.611 13.348 0.029 1.00 0.00 C ATOM 15 CD GLN A 2 5.400 14.654 -0.069 1.00 0.00 C ATOM 16 OE1 GLN A 2 4.872 15.748 -0.148 1.00 0.00 O ATOM 17 NE2 GLN A 2 6.704 14.527 -0.101 1.00 0.00 N ATOM 0 H GLN A 2 2.678 12.664 3.406 1.00 0.00 H new ATOM 0 HA GLN A 2 2.859 11.465 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.068 13.952 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.580 13.509 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.285 12.501 -0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.881 13.298 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.128 13.602 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.295 15.353 -0.193 1.00 0.00 H new ATOM 19 N THR A 3 4.024 9.555 1.921 1.00 0.00 N ATOM 20 CA THR A 3 4.834 8.336 2.007 1.00 0.00 C ATOM 21 C THR A 3 3.974 7.108 1.759 1.00 0.00 C ATOM 22 O THR A 3 2.831 7.022 2.225 1.00 0.00 O ATOM 23 CB THR A 3 5.689 8.192 3.288 1.00 0.00 C ATOM 24 OG1 THR A 3 6.433 6.974 3.265 1.00 0.00 O ATOM 25 CG2 THR A 3 4.878 8.320 4.590 1.00 0.00 C ATOM 0 H THR A 3 3.025 9.352 1.893 1.00 0.00 H new ATOM 0 HA THR A 3 5.575 8.427 1.213 1.00 0.00 H new ATOM 0 HB THR A 3 6.383 9.033 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.269 7.092 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.544 8.208 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.401 9.299 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.114 7.543 4.621 1.00 0.00 H new ATOM 28 N LEU A 4 4.659 6.111 1.218 1.00 0.00 N ATOM 29 CA LEU A 4 4.097 4.843 0.735 1.00 0.00 C ATOM 30 C LEU A 4 3.158 4.179 1.747 1.00 0.00 C ATOM 31 O LEU A 4 1.979 3.989 1.463 1.00 0.00 O ATOM 32 CB LEU A 4 5.206 3.854 0.396 1.00 0.00 C ATOM 33 CG LEU A 4 5.890 4.179 -0.935 1.00 0.00 C ATOM 34 CD1 LEU A 4 6.956 5.275 -0.784 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.520 2.895 -1.464 1.00 0.00 C ATOM 0 H LEU A 4 5.670 6.159 1.095 1.00 0.00 H new ATOM 0 HA LEU A 4 3.520 5.097 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.949 3.858 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.791 2.847 0.352 1.00 0.00 H new ATOM 0 HG LEU A 4 5.147 4.563 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.415 5.473 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.490 6.187 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.721 4.944 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.015 3.097 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.251 2.525 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.745 2.143 -1.612 1.00 0.00 H new ATOM 37 N SER A 5 3.601 4.177 2.993 1.00 0.00 N ATOM 38 CA SER A 5 2.899 3.522 4.115 1.00 0.00 C ATOM 39 C SER A 5 1.538 4.144 4.414 1.00 0.00 C ATOM 40 O SER A 5 0.516 3.518 4.184 1.00 0.00 O ATOM 41 CB SER A 5 3.802 3.586 5.351 1.00 0.00 C ATOM 42 OG SER A 5 4.292 4.930 5.524 1.00 0.00 O ATOM 0 H SER A 5 4.470 4.633 3.271 1.00 0.00 H new ATOM 0 HA SER A 5 2.699 2.488 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.247 3.274 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.638 2.895 5.239 1.00 0.00 H new ATOM 0 HG SER A 5 4.868 4.969 6.316 1.00 0.00 H new ATOM 45 N GLU A 6 1.580 5.471 4.519 1.00 0.00 N ATOM 46 CA GLU A 6 0.434 6.333 4.843 1.00 0.00 C ATOM 47 C GLU A 6 -0.654 6.286 3.766 1.00 0.00 C ATOM 48 O GLU A 6 -1.731 5.734 3.995 1.00 0.00 O ATOM 49 CB GLU A 6 0.973 7.754 5.005 1.00 0.00 C ATOM 50 CG GLU A 6 1.143 8.068 6.491 1.00 0.00 C ATOM 51 CD GLU A 6 1.599 9.509 6.743 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.561 9.956 6.080 1.00 0.00 O ATOM 53 OE2 GLU A 6 1.001 10.128 7.641 1.00 0.00 O ATOM 0 H GLU A 6 2.441 5.999 4.377 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.039 5.982 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.928 7.853 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.289 8.468 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.197 7.895 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.870 7.380 6.922 1.00 0.00 H new ATOM 55 N ARG A 7 -0.254 6.686 2.554 1.00 0.00 N ATOM 56 CA ARG A 7 -1.194 6.799 1.431 1.00 0.00 C ATOM 57 C ARG A 7 -1.754 5.452 0.915 1.00 0.00 C ATOM 58 O ARG A 7 -2.968 5.326 0.789 1.00 0.00 O ATOM 59 CB ARG A 7 -0.597 7.684 0.337 1.00 0.00 C ATOM 60 CG ARG A 7 0.721 7.195 -0.258 1.00 0.00 C ATOM 61 CD ARG A 7 1.299 8.252 -1.188 1.00 0.00 C ATOM 62 NE ARG A 7 2.687 7.887 -1.528 1.00 0.00 N ATOM 63 CZ ARG A 7 3.707 8.733 -1.683 1.00 0.00 C ATOM 64 NH1 ARG A 7 3.562 10.048 -1.672 1.00 0.00 N ATOM 65 NH2 ARG A 7 4.905 8.244 -1.977 1.00 0.00 N ATOM 0 H ARG A 7 0.708 6.936 2.325 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.088 7.292 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.326 7.778 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.443 8.683 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.430 6.975 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.559 6.267 -0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.697 8.326 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.274 9.230 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 7 2.886 6.895 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.637 10.458 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.375 10.652 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.034 7.237 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.697 8.875 -2.099 1.00 0.00 H new ATOM 68 N LEU A 8 -0.902 4.435 0.853 1.00 0.00 N ATOM 69 CA LEU A 8 -1.325 3.073 0.446 1.00 0.00 C ATOM 70 C LEU A 8 -2.285 2.436 1.465 1.00 0.00 C ATOM 71 O LEU A 8 -3.397 2.037 1.089 1.00 0.00 O ATOM 72 CB LEU A 8 -0.100 2.192 0.186 1.00 0.00 C ATOM 73 CG LEU A 8 -0.445 0.872 -0.514 1.00 0.00 C ATOM 74 CD1 LEU A 8 -1.181 1.108 -1.836 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.828 0.075 -0.790 1.00 0.00 C ATOM 0 H LEU A 8 0.090 4.514 1.077 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.885 3.159 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.614 2.744 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.392 1.976 1.134 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.101 0.312 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.408 0.149 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.109 1.647 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.551 1.696 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.571 -0.860 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.490 0.657 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.333 -0.141 0.151 1.00 0.00 H new ATOM 77 N LYS A 9 -1.924 2.518 2.749 1.00 0.00 N ATOM 78 CA LYS A 9 -2.779 2.029 3.856 1.00 0.00 C ATOM 79 C LYS A 9 -4.200 2.624 3.827 1.00 0.00 C ATOM 80 O LYS A 9 -5.185 1.894 3.770 1.00 0.00 O ATOM 81 CB LYS A 9 -2.084 2.367 5.172 1.00 0.00 C ATOM 82 CG LYS A 9 -2.656 1.609 6.375 1.00 0.00 C ATOM 83 CD LYS A 9 -1.860 2.034 7.605 1.00 0.00 C ATOM 84 CE LYS A 9 -2.232 1.205 8.826 1.00 0.00 C ATOM 85 NZ LYS A 9 -1.331 1.586 9.911 1.00 0.00 N ATOM 0 H LYS A 9 -1.039 2.921 3.058 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.906 0.952 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.021 2.141 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.168 3.438 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.714 1.838 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.579 0.533 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.794 1.928 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.043 3.089 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.269 1.385 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.141 0.141 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.561 1.035 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.348 1.395 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.442 2.600 10.114 1.00 0.00 H new ATOM 90 N LYS A 10 -4.261 3.947 3.718 1.00 0.00 N ATOM 91 CA LYS A 10 -5.535 4.703 3.701 1.00 0.00 C ATOM 92 C LYS A 10 -6.485 4.345 2.541 1.00 0.00 C ATOM 93 O LYS A 10 -7.700 4.319 2.707 1.00 0.00 O ATOM 94 CB LYS A 10 -5.182 6.190 3.685 1.00 0.00 C ATOM 95 CG LYS A 10 -6.389 7.078 4.013 1.00 0.00 C ATOM 96 CD LYS A 10 -6.849 6.889 5.468 1.00 0.00 C ATOM 97 CE LYS A 10 -8.142 7.658 5.737 1.00 0.00 C ATOM 98 NZ LYS A 10 -9.270 7.004 5.048 1.00 0.00 N ATOM 0 H LYS A 10 -3.434 4.538 3.638 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.098 4.430 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.387 6.380 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.792 6.458 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.129 8.123 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.211 6.841 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.003 5.829 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.069 7.233 6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.334 7.699 6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.041 8.687 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.167 7.354 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.229 7.221 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.211 5.975 5.185 1.00 0.00 H new ATOM 103 N ARG A 11 -5.904 4.047 1.383 1.00 0.00 N ATOM 104 CA ARG A 11 -6.651 3.591 0.198 1.00 0.00 C ATOM 105 C ARG A 11 -7.342 2.242 0.397 1.00 0.00 C ATOM 106 O ARG A 11 -8.567 2.134 0.261 1.00 0.00 O ATOM 107 CB ARG A 11 -5.654 3.554 -0.976 1.00 0.00 C ATOM 108 CG ARG A 11 -6.277 3.135 -2.309 1.00 0.00 C ATOM 109 CD ARG A 11 -7.282 4.172 -2.820 1.00 0.00 C ATOM 110 NE ARG A 11 -6.569 5.369 -3.301 1.00 0.00 N ATOM 111 CZ ARG A 11 -6.580 5.812 -4.557 1.00 0.00 C ATOM 112 NH1 ARG A 11 -7.250 5.167 -5.515 1.00 0.00 N ATOM 113 NH2 ARG A 11 -5.972 6.948 -4.851 1.00 0.00 N ATOM 0 H ARG A 11 -4.897 4.113 1.231 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.467 4.285 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.206 4.541 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.846 2.864 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.490 2.996 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.776 2.173 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.879 3.746 -3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.972 4.446 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.025 5.899 -2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.767 4.317 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.245 5.524 -6.470 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.499 7.478 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.975 7.295 -5.810 1.00 0.00 H new ATOM 116 N ARG A 12 -6.548 1.278 0.854 1.00 0.00 N ATOM 117 CA ARG A 12 -7.008 -0.039 1.350 1.00 0.00 C ATOM 118 C ARG A 12 -8.210 0.078 2.312 1.00 0.00 C ATOM 119 O ARG A 12 -9.232 -0.577 2.112 1.00 0.00 O ATOM 120 CB ARG A 12 -5.764 -0.680 1.966 1.00 0.00 C ATOM 121 CG ARG A 12 -5.944 -2.096 2.512 1.00 0.00 C ATOM 122 CD ARG A 12 -4.605 -2.833 2.673 1.00 0.00 C ATOM 123 NE ARG A 12 -3.633 -2.112 3.526 1.00 0.00 N ATOM 124 CZ ARG A 12 -2.428 -1.686 3.133 1.00 0.00 C ATOM 125 NH1 ARG A 12 -1.988 -1.845 1.894 1.00 0.00 N ATOM 126 NH2 ARG A 12 -1.614 -1.085 3.983 1.00 0.00 N ATOM 0 H ARG A 12 -5.534 1.383 0.895 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.406 -0.668 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.978 -0.699 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.413 -0.041 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.449 -2.050 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.590 -2.663 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.791 -3.818 3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.165 -2.991 1.688 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.904 -1.925 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.575 -2.307 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.062 -1.505 1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.902 -0.942 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.697 -0.764 3.671 1.00 0.00 H new ATOM 129 N ILE A 13 -8.164 1.122 3.137 1.00 0.00 N ATOM 130 CA ILE A 13 -9.229 1.453 4.101 1.00 0.00 C ATOM 131 C ILE A 13 -10.489 2.021 3.388 1.00 0.00 C ATOM 132 O ILE A 13 -11.564 1.452 3.533 1.00 0.00 O ATOM 133 CB ILE A 13 -8.659 2.369 5.192 1.00 0.00 C ATOM 134 CG1 ILE A 13 -7.608 1.591 6.004 1.00 0.00 C ATOM 135 CG2 ILE A 13 -9.757 2.899 6.137 1.00 0.00 C ATOM 136 CD1 ILE A 13 -6.659 2.441 6.858 1.00 0.00 C ATOM 0 H ILE A 13 -7.380 1.774 3.161 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.578 0.546 4.595 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.204 3.231 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.128 0.892 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.010 0.996 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.307 3.543 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.487 3.469 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.254 2.060 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.962 1.790 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.102 3.122 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.237 3.016 7.581 1.00 0.00 H new ATOM 138 N ALA A 14 -10.327 3.113 2.643 1.00 0.00 N ATOM 139 CA ALA A 14 -11.395 3.738 1.831 1.00 0.00 C ATOM 140 C ALA A 14 -12.149 2.770 0.883 1.00 0.00 C ATOM 141 O ALA A 14 -13.316 2.989 0.592 1.00 0.00 O ATOM 142 CB ALA A 14 -10.782 4.879 1.016 1.00 0.00 C ATOM 0 H ALA A 14 -9.436 3.605 2.579 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.147 4.094 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.556 5.351 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.349 5.617 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.003 4.483 0.364 1.00 0.00 H new ATOM 144 N LEU A 15 -11.446 1.740 0.422 1.00 0.00 N ATOM 145 CA LEU A 15 -12.021 0.675 -0.435 1.00 0.00 C ATOM 146 C LEU A 15 -12.601 -0.544 0.312 1.00 0.00 C ATOM 147 O LEU A 15 -13.075 -1.491 -0.319 1.00 0.00 O ATOM 148 CB LEU A 15 -10.962 0.207 -1.432 1.00 0.00 C ATOM 149 CG LEU A 15 -10.759 1.262 -2.518 1.00 0.00 C ATOM 150 CD1 LEU A 15 -9.368 1.107 -3.106 1.00 0.00 C ATOM 151 CD2 LEU A 15 -11.836 1.174 -3.604 1.00 0.00 C ATOM 0 H LEU A 15 -10.455 1.608 0.626 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.876 1.134 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.021 0.022 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.269 -0.736 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.853 2.251 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.215 1.857 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.624 1.241 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.264 0.112 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.656 1.941 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.801 0.190 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.818 1.328 -3.156 1.00 0.00 H new ATOM 153 N LYS A 16 -12.552 -0.503 1.645 1.00 0.00 N ATOM 154 CA LYS A 16 -13.010 -1.569 2.562 1.00 0.00 C ATOM 155 C LYS A 16 -12.434 -2.960 2.239 1.00 0.00 C ATOM 156 O LYS A 16 -13.061 -4.000 2.425 1.00 0.00 O ATOM 157 CB LYS A 16 -14.544 -1.577 2.680 1.00 0.00 C ATOM 158 CG LYS A 16 -15.102 -0.492 3.608 1.00 0.00 C ATOM 159 CD LYS A 16 -15.001 0.918 3.016 1.00 0.00 C ATOM 160 CE LYS A 16 -15.667 1.963 3.917 1.00 0.00 C ATOM 161 NZ LYS A 16 -15.414 3.277 3.320 1.00 0.00 N ATOM 0 H LYS A 16 -12.178 0.304 2.144 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.602 -1.325 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.975 -1.449 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.865 -2.553 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.146 -0.713 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.564 -0.521 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.952 1.178 2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.471 0.934 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.738 1.776 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.260 1.915 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.853 4.015 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.389 3.442 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.821 3.308 2.363 1.00 0.00 H new ATOM 166 N MET A 17 -11.127 -2.928 1.990 1.00 0.00 N ATOM 167 CA MET A 17 -10.343 -4.109 1.627 1.00 0.00 C ATOM 168 C MET A 17 -9.320 -4.385 2.714 1.00 0.00 C ATOM 169 O MET A 17 -8.735 -3.479 3.317 1.00 0.00 O ATOM 170 CB MET A 17 -9.608 -3.858 0.310 1.00 0.00 C ATOM 171 CG MET A 17 -10.434 -4.278 -0.913 1.00 0.00 C ATOM 172 SD MET A 17 -9.614 -3.890 -2.501 1.00 0.00 S ATOM 173 CE MET A 17 -8.570 -5.326 -2.706 1.00 0.00 C ATOM 0 H MET A 17 -10.575 -2.072 2.035 1.00 0.00 H new ATOM 0 HA MET A 17 -11.012 -4.962 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.361 -2.799 0.231 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.666 -4.406 0.313 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.627 -5.350 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.402 -3.778 -0.879 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.635 -5.031 -3.183 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.358 -5.764 -1.731 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.080 -6.060 -3.330 1.00 0.00 H new ATOM 175 N THR A 18 -9.155 -5.673 2.993 1.00 0.00 N ATOM 176 CA THR A 18 -8.143 -6.161 3.929 1.00 0.00 C ATOM 177 C THR A 18 -6.882 -6.555 3.166 1.00 0.00 C ATOM 178 O THR A 18 -6.919 -6.993 2.011 1.00 0.00 O ATOM 179 CB THR A 18 -8.664 -7.372 4.710 1.00 0.00 C ATOM 180 OG1 THR A 18 -9.311 -8.276 3.808 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.558 -6.947 5.882 1.00 0.00 C ATOM 0 H THR A 18 -9.720 -6.413 2.576 1.00 0.00 H new ATOM 0 HA THR A 18 -7.913 -5.362 4.634 1.00 0.00 H new ATOM 0 HB THR A 18 -7.825 -7.899 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.847 -9.139 3.821 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.908 -7.833 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.988 -6.317 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.414 -6.389 5.503 1.00 0.00 H new ATOM 184 N GLN A 19 -5.754 -6.437 3.847 1.00 0.00 N ATOM 185 CA GLN A 19 -4.458 -6.844 3.270 1.00 0.00 C ATOM 186 C GLN A 19 -4.407 -8.296 2.774 1.00 0.00 C ATOM 187 O GLN A 19 -3.791 -8.567 1.754 1.00 0.00 O ATOM 188 CB GLN A 19 -3.351 -6.642 4.275 1.00 0.00 C ATOM 189 CG GLN A 19 -2.400 -5.627 3.634 1.00 0.00 C ATOM 190 CD GLN A 19 -1.213 -5.248 4.508 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.681 -6.024 5.285 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.802 -4.004 4.386 1.00 0.00 N ATOM 0 H GLN A 19 -5.696 -6.066 4.796 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.326 -6.206 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.743 -6.270 5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.839 -7.580 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.029 -6.036 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.960 -4.724 3.390 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.265 -3.376 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.021 -3.668 4.949 1.00 0.00 H new ATOM 194 N THR A 20 -5.112 -9.167 3.476 1.00 0.00 N ATOM 195 CA THR A 20 -5.345 -10.575 3.107 1.00 0.00 C ATOM 196 C THR A 20 -6.072 -10.763 1.767 1.00 0.00 C ATOM 197 O THR A 20 -5.642 -11.533 0.909 1.00 0.00 O ATOM 198 CB THR A 20 -6.157 -11.214 4.238 1.00 0.00 C ATOM 199 OG1 THR A 20 -7.197 -10.323 4.665 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.256 -11.559 5.422 1.00 0.00 C ATOM 0 H THR A 20 -5.561 -8.914 4.356 1.00 0.00 H new ATOM 0 HA THR A 20 -4.374 -11.052 2.973 1.00 0.00 H new ATOM 0 HB THR A 20 -6.604 -12.133 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.711 -10.742 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.853 -12.012 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.487 -12.261 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.785 -10.651 5.797 1.00 0.00 H new ATOM 203 N GLU A 21 -7.072 -9.908 1.569 1.00 0.00 N ATOM 204 CA GLU A 21 -7.847 -9.804 0.317 1.00 0.00 C ATOM 205 C GLU A 21 -6.941 -9.319 -0.832 1.00 0.00 C ATOM 206 O GLU A 21 -6.868 -9.944 -1.890 1.00 0.00 O ATOM 207 CB GLU A 21 -9.001 -8.813 0.489 1.00 0.00 C ATOM 208 CG GLU A 21 -10.315 -9.292 -0.128 1.00 0.00 C ATOM 209 CD GLU A 21 -10.308 -9.321 -1.667 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.081 -8.236 -2.251 1.00 0.00 O ATOM 211 OE2 GLU A 21 -10.572 -10.414 -2.210 1.00 0.00 O ATOM 0 H GLU A 21 -7.380 -9.250 2.285 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.244 -10.791 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.155 -8.628 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.722 -7.861 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.536 -10.293 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.122 -8.642 0.210 1.00 0.00 H new ATOM 213 N LEU A 22 -6.109 -8.328 -0.508 1.00 0.00 N ATOM 214 CA LEU A 22 -5.143 -7.693 -1.418 1.00 0.00 C ATOM 215 C LEU A 22 -3.964 -8.620 -1.770 1.00 0.00 C ATOM 216 O LEU A 22 -3.656 -8.775 -2.945 1.00 0.00 O ATOM 217 CB LEU A 22 -4.748 -6.385 -0.719 1.00 0.00 C ATOM 218 CG LEU A 22 -3.582 -5.633 -1.364 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.887 -5.185 -2.800 1.00 0.00 C ATOM 220 CD2 LEU A 22 -3.250 -4.423 -0.501 1.00 0.00 C ATOM 0 H LEU A 22 -6.085 -7.928 0.430 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.568 -7.483 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.616 -5.727 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.489 -6.608 0.316 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.733 -6.313 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.025 -4.657 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.102 -6.058 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.751 -4.521 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.420 -3.875 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.122 -3.772 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.970 -4.755 0.499 1.00 0.00 H new ATOM 222 N ALA A 23 -3.431 -9.322 -0.779 1.00 0.00 N ATOM 223 CA ALA A 23 -2.425 -10.391 -0.943 1.00 0.00 C ATOM 224 C ALA A 23 -2.876 -11.455 -1.950 1.00 0.00 C ATOM 225 O ALA A 23 -2.201 -11.669 -2.955 1.00 0.00 O ATOM 226 CB ALA A 23 -2.154 -11.040 0.416 1.00 0.00 C ATOM 0 H ALA A 23 -3.687 -9.167 0.196 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.513 -9.940 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.412 -11.830 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.778 -10.288 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.078 -11.465 0.807 1.00 0.00 H new ATOM 228 N THR A 24 -4.124 -11.898 -1.772 1.00 0.00 N ATOM 229 CA THR A 24 -4.810 -12.872 -2.655 1.00 0.00 C ATOM 230 C THR A 24 -4.968 -12.300 -4.080 1.00 0.00 C ATOM 231 O THR A 24 -4.380 -12.829 -5.023 1.00 0.00 O ATOM 232 CB THR A 24 -6.163 -13.232 -2.004 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.921 -13.826 -0.727 1.00 0.00 O ATOM 234 CG2 THR A 24 -7.011 -14.166 -2.860 1.00 0.00 C ATOM 0 H THR A 24 -4.707 -11.588 -0.995 1.00 0.00 H new ATOM 0 HA THR A 24 -4.219 -13.782 -2.763 1.00 0.00 H new ATOM 0 HB THR A 24 -6.732 -12.308 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.802 -13.122 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.948 -14.380 -2.346 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.223 -13.690 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.469 -15.097 -3.029 1.00 0.00 H new ATOM 237 N LYS A 25 -5.587 -11.118 -4.170 1.00 0.00 N ATOM 238 CA LYS A 25 -5.823 -10.397 -5.432 1.00 0.00 C ATOM 239 C LYS A 25 -4.573 -10.106 -6.269 1.00 0.00 C ATOM 240 O LYS A 25 -4.563 -10.274 -7.485 1.00 0.00 O ATOM 241 CB LYS A 25 -6.508 -9.060 -5.103 1.00 0.00 C ATOM 242 CG LYS A 25 -8.014 -9.160 -4.867 1.00 0.00 C ATOM 243 CD LYS A 25 -8.750 -9.482 -6.159 1.00 0.00 C ATOM 244 CE LYS A 25 -10.267 -9.533 -5.919 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.912 -10.036 -7.142 1.00 0.00 N ATOM 0 H LYS A 25 -5.946 -10.623 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.439 -11.058 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.041 -8.636 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.327 -8.363 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.219 -9.933 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.385 -8.220 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.521 -8.728 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.406 -10.439 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.496 -10.183 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.646 -8.542 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.941 -10.078 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.698 -9.398 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.553 -10.988 -7.357 1.00 0.00 H new ATOM 250 N ALA A 26 -3.542 -9.598 -5.588 1.00 0.00 N ATOM 251 CA ALA A 26 -2.261 -9.195 -6.187 1.00 0.00 C ATOM 252 C ALA A 26 -1.290 -10.369 -6.464 1.00 0.00 C ATOM 253 O ALA A 26 -0.273 -10.196 -7.131 1.00 0.00 O ATOM 254 CB ALA A 26 -1.576 -8.193 -5.262 1.00 0.00 C ATOM 0 H ALA A 26 -3.573 -9.451 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.499 -8.758 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.624 -7.888 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.215 -7.319 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.399 -8.656 -4.291 1.00 0.00 H new ATOM 256 N GLY A 27 -1.597 -11.531 -5.870 1.00 0.00 N ATOM 257 CA GLY A 27 -0.771 -12.747 -5.950 1.00 0.00 C ATOM 258 C GLY A 27 0.586 -12.618 -5.232 1.00 0.00 C ATOM 259 O GLY A 27 1.609 -13.108 -5.697 1.00 0.00 O ATOM 0 H GLY A 27 -2.441 -11.656 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.324 -13.581 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.597 -12.990 -6.998 1.00 0.00 H new ATOM 261 N VAL A 28 0.539 -11.965 -4.072 1.00 0.00 N ATOM 262 CA VAL A 28 1.699 -11.734 -3.190 1.00 0.00 C ATOM 263 C VAL A 28 1.323 -12.115 -1.741 1.00 0.00 C ATOM 264 O VAL A 28 0.180 -12.484 -1.464 1.00 0.00 O ATOM 265 CB VAL A 28 2.226 -10.297 -3.286 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.041 -10.104 -4.563 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.160 -9.190 -3.136 1.00 0.00 C ATOM 0 H VAL A 28 -0.326 -11.569 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 28 2.518 -12.372 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 28 2.870 -10.176 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.405 -9.078 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.888 -10.790 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.412 -10.307 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.636 -8.213 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.411 -9.297 -3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.679 -9.278 -2.162 1.00 0.00 H new ATOM 269 N LYS A 29 2.295 -12.059 -0.840 1.00 0.00 N ATOM 270 CA LYS A 29 2.029 -12.371 0.570 1.00 0.00 C ATOM 271 C LYS A 29 1.503 -11.169 1.344 1.00 0.00 C ATOM 272 O LYS A 29 1.791 -10.011 1.046 1.00 0.00 O ATOM 273 CB LYS A 29 3.280 -12.930 1.242 1.00 0.00 C ATOM 274 CG LYS A 29 3.692 -14.281 0.663 1.00 0.00 C ATOM 275 CD LYS A 29 4.880 -14.853 1.446 1.00 0.00 C ATOM 276 CE LYS A 29 6.196 -14.136 1.160 1.00 0.00 C ATOM 277 NZ LYS A 29 6.753 -14.620 -0.107 1.00 0.00 N ATOM 0 H LYS A 29 3.261 -11.806 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 29 1.246 -13.129 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.100 -12.222 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.099 -13.035 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.852 -14.974 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.960 -14.168 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.666 -14.792 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.990 -15.910 1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.032 -13.060 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.902 -14.313 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.650 -14.131 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.924 -15.644 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.081 -14.429 -0.877 1.00 0.00 H new ATOM 282 N GLN A 30 0.728 -11.493 2.374 1.00 0.00 N ATOM 283 CA GLN A 30 0.191 -10.471 3.295 1.00 0.00 C ATOM 284 C GLN A 30 1.306 -9.682 3.993 1.00 0.00 C ATOM 285 O GLN A 30 1.346 -8.455 3.902 1.00 0.00 O ATOM 286 CB GLN A 30 -0.747 -11.160 4.287 1.00 0.00 C ATOM 287 CG GLN A 30 -1.782 -10.181 4.837 1.00 0.00 C ATOM 288 CD GLN A 30 -1.482 -9.797 6.284 1.00 0.00 C ATOM 289 OE1 GLN A 30 -1.656 -10.561 7.213 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.071 -8.566 6.500 1.00 0.00 N ATOM 0 H GLN A 30 0.453 -12.449 2.600 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.372 -9.730 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.253 -11.991 3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.167 -11.580 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.799 -9.284 4.218 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.774 -10.628 4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.927 -7.931 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.896 -8.247 7.453 1.00 0.00 H new ATOM 292 N GLN A 31 2.307 -10.435 4.468 1.00 0.00 N ATOM 293 CA GLN A 31 3.560 -9.920 5.049 1.00 0.00 C ATOM 294 C GLN A 31 4.311 -8.955 4.101 1.00 0.00 C ATOM 295 O GLN A 31 4.679 -7.856 4.504 1.00 0.00 O ATOM 296 CB GLN A 31 4.463 -11.109 5.391 1.00 0.00 C ATOM 297 CG GLN A 31 5.271 -10.890 6.668 1.00 0.00 C ATOM 298 CD GLN A 31 6.252 -9.712 6.611 1.00 0.00 C ATOM 299 OE1 GLN A 31 7.263 -9.742 5.940 1.00 0.00 O ATOM 300 NE2 GLN A 31 5.931 -8.637 7.295 1.00 0.00 N ATOM 0 H GLN A 31 2.268 -11.454 4.459 1.00 0.00 H new ATOM 0 HA GLN A 31 3.304 -9.349 5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.851 -12.004 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.146 -11.291 4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.580 -10.730 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.829 -11.800 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.079 -8.625 7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.534 -7.815 7.266 1.00 0.00 H new ATOM 302 N SER A 32 4.386 -9.335 2.831 1.00 0.00 N ATOM 303 CA SER A 32 4.984 -8.525 1.749 1.00 0.00 C ATOM 304 C SER A 32 4.429 -7.091 1.705 1.00 0.00 C ATOM 305 O SER A 32 5.190 -6.126 1.760 1.00 0.00 O ATOM 306 CB SER A 32 4.706 -9.237 0.437 1.00 0.00 C ATOM 307 OG SER A 32 5.260 -10.559 0.471 1.00 0.00 O ATOM 0 H SER A 32 4.028 -10.233 2.506 1.00 0.00 H new ATOM 0 HA SER A 32 6.055 -8.429 1.930 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.631 -9.288 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.137 -8.674 -0.391 1.00 0.00 H new ATOM 0 HG SER A 32 4.942 -11.067 -0.305 1.00 0.00 H new ATOM 310 N ILE A 33 3.102 -6.970 1.822 1.00 0.00 N ATOM 311 CA ILE A 33 2.417 -5.663 1.840 1.00 0.00 C ATOM 312 C ILE A 33 2.583 -4.966 3.204 1.00 0.00 C ATOM 313 O ILE A 33 2.729 -3.737 3.246 1.00 0.00 O ATOM 314 CB ILE A 33 0.928 -5.765 1.487 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.712 -6.695 0.278 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.372 -4.367 1.159 1.00 0.00 C ATOM 317 CD1 ILE A 33 -0.688 -7.292 0.285 1.00 0.00 C ATOM 0 H ILE A 33 2.472 -7.767 1.907 1.00 0.00 H new ATOM 0 HA ILE A 33 2.897 -5.062 1.067 1.00 0.00 H new ATOM 0 HB ILE A 33 0.402 -6.180 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.868 -6.137 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.452 -7.496 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.686 -4.446 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.493 -3.715 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.915 -3.949 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.810 -7.944 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.833 -7.870 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.426 -6.491 0.243 1.00 0.00 H new ATOM 319 N GLN A 34 2.604 -5.714 4.309 1.00 0.00 N ATOM 320 CA GLN A 34 2.864 -5.148 5.652 1.00 0.00 C ATOM 321 C GLN A 34 4.179 -4.380 5.712 1.00 0.00 C ATOM 322 O GLN A 34 4.241 -3.320 6.315 1.00 0.00 O ATOM 323 CB GLN A 34 2.948 -6.152 6.801 1.00 0.00 C ATOM 324 CG GLN A 34 1.754 -7.091 6.806 1.00 0.00 C ATOM 325 CD GLN A 34 1.670 -7.873 8.104 1.00 0.00 C ATOM 326 OE1 GLN A 34 2.497 -8.729 8.413 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.737 -7.481 8.941 1.00 0.00 N ATOM 0 H GLN A 34 2.444 -6.721 4.309 1.00 0.00 H new ATOM 0 HA GLN A 34 1.987 -4.515 5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.867 -6.731 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.997 -5.618 7.750 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.838 -6.518 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.830 -7.783 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.064 -6.769 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.685 -7.889 9.875 1.00 0.00 H new ATOM 329 N LEU A 35 5.190 -4.872 4.999 1.00 0.00 N ATOM 330 CA LEU A 35 6.491 -4.185 4.872 1.00 0.00 C ATOM 331 C LEU A 35 6.399 -2.729 4.373 1.00 0.00 C ATOM 332 O LEU A 35 7.088 -1.848 4.878 1.00 0.00 O ATOM 333 CB LEU A 35 7.374 -5.066 4.008 1.00 0.00 C ATOM 334 CG LEU A 35 7.912 -6.243 4.823 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.351 -7.350 3.880 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.057 -5.805 5.753 1.00 0.00 C ATOM 0 H LEU A 35 5.139 -5.755 4.491 1.00 0.00 H new ATOM 0 HA LEU A 35 6.931 -4.061 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.806 -5.436 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.203 -4.482 3.610 1.00 0.00 H new ATOM 0 HG LEU A 35 7.117 -6.623 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.735 -8.190 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.500 -7.679 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.134 -6.976 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.416 -6.665 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.873 -5.395 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.694 -5.044 6.443 1.00 0.00 H new ATOM 338 N ILE A 36 5.441 -2.487 3.475 1.00 0.00 N ATOM 339 CA ILE A 36 5.099 -1.112 3.016 1.00 0.00 C ATOM 340 C ILE A 36 4.303 -0.383 4.109 1.00 0.00 C ATOM 341 O ILE A 36 4.749 0.643 4.620 1.00 0.00 O ATOM 342 CB ILE A 36 4.277 -1.108 1.718 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.678 -2.236 0.740 1.00 0.00 C ATOM 344 CG2 ILE A 36 4.442 0.275 1.063 1.00 0.00 C ATOM 345 CD1 ILE A 36 3.644 -2.473 -0.358 1.00 0.00 C ATOM 0 H ILE A 36 4.879 -3.220 3.042 1.00 0.00 H new ATOM 0 HA ILE A 36 6.041 -0.602 2.816 1.00 0.00 H new ATOM 0 HB ILE A 36 3.233 -1.301 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.635 -1.988 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.823 -3.160 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.869 0.310 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.079 1.045 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.495 0.451 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.984 -3.277 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.691 -2.751 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.517 -1.561 -0.941 1.00 0.00 H new ATOM 347 N GLU A 37 3.250 -1.045 4.596 1.00 0.00 N ATOM 348 CA GLU A 37 2.309 -0.559 5.621 1.00 0.00 C ATOM 349 C GLU A 37 3.002 -0.071 6.914 1.00 0.00 C ATOM 350 O GLU A 37 2.646 0.960 7.471 1.00 0.00 O ATOM 351 CB GLU A 37 1.341 -1.717 5.938 1.00 0.00 C ATOM 352 CG GLU A 37 0.234 -1.374 6.940 1.00 0.00 C ATOM 353 CD GLU A 37 -0.480 -2.620 7.475 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.222 -3.521 7.995 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.726 -2.660 7.354 1.00 0.00 O ATOM 0 H GLU A 37 3.015 -1.983 4.272 1.00 0.00 H new ATOM 0 HA GLU A 37 1.786 0.312 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.880 -2.051 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.917 -2.557 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.663 -0.819 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.494 -0.719 6.462 1.00 0.00 H new ATOM 357 N ALA A 38 3.964 -0.874 7.384 1.00 0.00 N ATOM 358 CA ALA A 38 4.804 -0.619 8.569 1.00 0.00 C ATOM 359 C ALA A 38 5.880 0.471 8.370 1.00 0.00 C ATOM 360 O ALA A 38 6.617 0.790 9.298 1.00 0.00 O ATOM 361 CB ALA A 38 5.448 -1.961 8.949 1.00 0.00 C ATOM 0 H ALA A 38 4.191 -1.759 6.931 1.00 0.00 H new ATOM 0 HA ALA A 38 4.171 -0.224 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.083 -1.825 9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.668 -2.688 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.051 -2.324 8.117 1.00 0.00 H new ATOM 363 N GLY A 39 5.967 0.995 7.151 1.00 0.00 N ATOM 364 CA GLY A 39 6.889 2.074 6.764 1.00 0.00 C ATOM 365 C GLY A 39 8.361 1.659 6.647 1.00 0.00 C ATOM 366 O GLY A 39 9.246 2.405 7.068 1.00 0.00 O ATOM 0 H GLY A 39 5.383 0.676 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.565 2.482 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.811 2.878 7.496 1.00 0.00 H new ATOM 368 N VAL A 40 8.602 0.535 5.979 1.00 0.00 N ATOM 369 CA VAL A 40 9.969 -0.005 5.794 1.00 0.00 C ATOM 370 C VAL A 40 10.324 -0.005 4.300 1.00 0.00 C ATOM 371 O VAL A 40 11.286 0.620 3.867 1.00 0.00 O ATOM 372 CB VAL A 40 10.118 -1.429 6.382 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.594 -1.841 6.440 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.537 -1.561 7.796 1.00 0.00 C ATOM 0 H VAL A 40 7.871 -0.032 5.549 1.00 0.00 H new ATOM 0 HA VAL A 40 10.660 0.640 6.337 1.00 0.00 H new ATOM 0 HB VAL A 40 9.556 -2.081 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.675 -2.845 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.015 -1.830 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.143 -1.141 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.673 -2.582 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.051 -0.872 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.474 -1.322 7.776 1.00 0.00 H new ATOM 376 N THR A 41 9.570 -0.811 3.556 1.00 0.00 N ATOM 377 CA THR A 41 9.717 -0.983 2.089 1.00 0.00 C ATOM 378 C THR A 41 9.147 0.222 1.338 1.00 0.00 C ATOM 379 O THR A 41 8.043 0.203 0.797 1.00 0.00 O ATOM 380 CB THR A 41 9.043 -2.294 1.688 1.00 0.00 C ATOM 381 OG1 THR A 41 9.445 -3.315 2.601 1.00 0.00 O ATOM 382 CG2 THR A 41 9.454 -2.735 0.282 1.00 0.00 C ATOM 0 H THR A 41 8.821 -1.380 3.952 1.00 0.00 H new ATOM 0 HA THR A 41 10.771 -1.035 1.818 1.00 0.00 H new ATOM 0 HB THR A 41 7.965 -2.136 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.538 -4.165 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.954 -3.671 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.168 -1.968 -0.438 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.534 -2.880 0.247 1.00 0.00 H new ATOM 385 N LYS A 42 10.011 1.231 1.275 1.00 0.00 N ATOM 386 CA LYS A 42 9.757 2.521 0.602 1.00 0.00 C ATOM 387 C LYS A 42 9.843 2.521 -0.928 1.00 0.00 C ATOM 388 O LYS A 42 9.733 3.558 -1.590 1.00 0.00 O ATOM 389 CB LYS A 42 10.648 3.589 1.258 1.00 0.00 C ATOM 390 CG LYS A 42 10.210 3.832 2.704 1.00 0.00 C ATOM 391 CD LYS A 42 8.835 4.503 2.759 1.00 0.00 C ATOM 392 CE LYS A 42 8.195 4.434 4.143 1.00 0.00 C ATOM 393 NZ LYS A 42 9.033 5.100 5.154 1.00 0.00 N ATOM 0 H LYS A 42 10.937 1.182 1.700 1.00 0.00 H new ATOM 0 HA LYS A 42 8.703 2.754 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.689 3.267 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.589 4.519 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.177 2.884 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.945 4.459 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.934 5.547 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.175 4.026 2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.212 4.904 4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.042 3.392 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.463 5.800 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.401 4.392 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.828 5.579 4.685 1.00 0.00 H new ATOM 398 N ARG A 43 10.111 1.330 -1.459 1.00 0.00 N ATOM 399 CA ARG A 43 9.970 0.942 -2.874 1.00 0.00 C ATOM 400 C ARG A 43 9.820 -0.588 -2.928 1.00 0.00 C ATOM 401 O ARG A 43 10.763 -1.291 -2.581 1.00 0.00 O ATOM 402 CB ARG A 43 11.177 1.415 -3.685 1.00 0.00 C ATOM 403 CG ARG A 43 11.007 1.087 -5.174 1.00 0.00 C ATOM 404 CD ARG A 43 12.070 1.783 -6.024 1.00 0.00 C ATOM 405 NE ARG A 43 11.747 3.213 -6.150 1.00 0.00 N ATOM 406 CZ ARG A 43 12.444 4.235 -5.662 1.00 0.00 C ATOM 407 NH1 ARG A 43 13.421 4.092 -4.778 1.00 0.00 N ATOM 408 NH2 ARG A 43 12.091 5.465 -5.996 1.00 0.00 N ATOM 0 H ARG A 43 10.453 0.559 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 43 9.091 1.413 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.305 2.490 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.082 0.940 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.071 0.009 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.015 1.395 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.052 1.661 -5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.119 1.323 -7.011 1.00 0.00 H new ATOM 0 HE ARG A 43 10.899 3.445 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.670 3.163 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.924 4.911 -4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.297 5.617 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.613 6.262 -5.632 1.00 0.00 H new ATOM 411 N PRO A 44 8.584 -1.079 -3.110 1.00 0.00 N ATOM 412 CA PRO A 44 8.337 -2.523 -3.328 1.00 0.00 C ATOM 413 C PRO A 44 8.278 -2.862 -4.817 1.00 0.00 C ATOM 414 O PRO A 44 7.588 -2.205 -5.598 1.00 0.00 O ATOM 415 CB PRO A 44 6.990 -2.770 -2.629 1.00 0.00 C ATOM 416 CG PRO A 44 6.240 -1.455 -2.808 1.00 0.00 C ATOM 417 CD PRO A 44 7.329 -0.387 -2.721 1.00 0.00 C ATOM 0 HA PRO A 44 9.133 -3.153 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.451 -3.602 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.125 -3.013 -1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.723 -1.419 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.485 -1.318 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.116 0.448 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.401 0.021 -1.713 1.00 0.00 H new ATOM 418 N ARG A 45 8.939 -3.951 -5.184 1.00 0.00 N ATOM 419 CA ARG A 45 8.920 -4.456 -6.580 1.00 0.00 C ATOM 420 C ARG A 45 7.512 -4.862 -7.081 1.00 0.00 C ATOM 421 O ARG A 45 7.065 -4.425 -8.138 1.00 0.00 O ATOM 422 CB ARG A 45 9.948 -5.578 -6.792 1.00 0.00 C ATOM 423 CG ARG A 45 9.820 -6.746 -5.810 1.00 0.00 C ATOM 424 CD ARG A 45 11.112 -6.992 -5.014 1.00 0.00 C ATOM 425 NE ARG A 45 11.547 -5.799 -4.254 1.00 0.00 N ATOM 426 CZ ARG A 45 10.975 -5.282 -3.161 1.00 0.00 C ATOM 427 NH1 ARG A 45 9.995 -5.882 -2.497 1.00 0.00 N ATOM 428 NH2 ARG A 45 11.459 -4.162 -2.649 1.00 0.00 N ATOM 0 H ARG A 45 9.501 -4.514 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 45 9.215 -3.610 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.846 -5.960 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.950 -5.157 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.003 -6.546 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.558 -7.650 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.957 -7.821 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.905 -7.291 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 45 12.376 -5.317 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.641 -6.784 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.596 -5.441 -1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.258 -3.704 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.033 -3.756 -1.816 1.00 0.00 H new ATOM 431 N PHE A 46 6.756 -5.490 -6.178 1.00 0.00 N ATOM 432 CA PHE A 46 5.359 -5.904 -6.390 1.00 0.00 C ATOM 433 C PHE A 46 4.285 -4.788 -6.282 1.00 0.00 C ATOM 434 O PHE A 46 3.090 -5.086 -6.287 1.00 0.00 O ATOM 435 CB PHE A 46 5.013 -7.085 -5.468 1.00 0.00 C ATOM 436 CG PHE A 46 5.723 -7.093 -4.101 1.00 0.00 C ATOM 437 CD1 PHE A 46 5.326 -6.179 -3.107 1.00 0.00 C ATOM 438 CD2 PHE A 46 6.684 -8.093 -3.815 1.00 0.00 C ATOM 439 CE1 PHE A 46 5.859 -6.263 -1.806 1.00 0.00 C ATOM 440 CE2 PHE A 46 7.227 -8.191 -2.516 1.00 0.00 C ATOM 441 CZ PHE A 46 6.810 -7.269 -1.529 1.00 0.00 C ATOM 0 H PHE A 46 7.105 -5.734 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 46 5.318 -6.203 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.936 -7.087 -5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.255 -8.012 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.608 -5.408 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.000 -8.778 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.547 -5.572 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.950 -8.958 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.230 -7.336 -0.536 1.00 0.00 H new ATOM 443 N LEU A 47 4.726 -3.532 -6.422 1.00 0.00 N ATOM 444 CA LEU A 47 3.822 -2.360 -6.376 1.00 0.00 C ATOM 445 C LEU A 47 2.714 -2.388 -7.442 1.00 0.00 C ATOM 446 O LEU A 47 1.550 -2.162 -7.136 1.00 0.00 O ATOM 447 CB LEU A 47 4.578 -1.016 -6.393 1.00 0.00 C ATOM 448 CG LEU A 47 5.090 -0.485 -7.753 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.270 1.021 -7.682 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.367 -1.161 -8.233 1.00 0.00 C ATOM 0 H LEU A 47 5.707 -3.293 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 47 3.323 -2.441 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.921 -0.259 -5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.436 -1.107 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 47 4.330 -0.733 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.631 1.390 -8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.315 1.491 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.994 1.265 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.665 -0.737 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.160 -1.000 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.191 -2.231 -8.348 1.00 0.00 H new ATOM 452 N PHE A 48 3.079 -2.898 -8.619 1.00 0.00 N ATOM 453 CA PHE A 48 2.207 -3.077 -9.794 1.00 0.00 C ATOM 454 C PHE A 48 0.962 -3.927 -9.456 1.00 0.00 C ATOM 455 O PHE A 48 -0.159 -3.427 -9.449 1.00 0.00 O ATOM 456 CB PHE A 48 3.110 -3.769 -10.810 1.00 0.00 C ATOM 457 CG PHE A 48 2.523 -3.805 -12.227 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.749 -2.711 -13.100 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.817 -4.952 -12.650 1.00 0.00 C ATOM 460 CE1 PHE A 48 2.249 -2.762 -14.410 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.317 -5.008 -13.968 1.00 0.00 C ATOM 462 CZ PHE A 48 1.532 -3.909 -14.833 1.00 0.00 C ATOM 0 H PHE A 48 4.033 -3.214 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 48 1.804 -2.135 -10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.072 -3.257 -10.837 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.301 -4.790 -10.478 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.301 -1.847 -12.760 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.661 -5.778 -11.972 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.409 -1.937 -15.088 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.777 -5.878 -14.312 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.141 -3.945 -15.839 1.00 0.00 H new ATOM 464 N GLU A 49 1.259 -5.124 -8.957 1.00 0.00 N ATOM 465 CA GLU A 49 0.275 -6.138 -8.542 1.00 0.00 C ATOM 466 C GLU A 49 -0.649 -5.629 -7.424 1.00 0.00 C ATOM 467 O GLU A 49 -1.864 -5.577 -7.625 1.00 0.00 O ATOM 468 CB GLU A 49 1.005 -7.403 -8.077 1.00 0.00 C ATOM 469 CG GLU A 49 1.545 -8.288 -9.212 1.00 0.00 C ATOM 470 CD GLU A 49 2.728 -7.701 -9.990 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.507 -6.935 -9.385 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.800 -8.007 -11.199 1.00 0.00 O ATOM 0 H GLU A 49 2.222 -5.432 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.351 -6.362 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.837 -7.111 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.324 -7.995 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.847 -9.247 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.734 -8.489 -9.912 1.00 0.00 H new ATOM 474 N ILE A 50 -0.040 -5.072 -6.379 1.00 0.00 N ATOM 475 CA ILE A 50 -0.765 -4.516 -5.222 1.00 0.00 C ATOM 476 C ILE A 50 -1.674 -3.357 -5.652 1.00 0.00 C ATOM 477 O ILE A 50 -2.881 -3.418 -5.428 1.00 0.00 O ATOM 478 CB ILE A 50 0.204 -4.098 -4.099 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.043 -5.300 -3.644 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.564 -3.463 -2.911 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.241 -4.894 -2.786 1.00 0.00 C ATOM 0 H ILE A 50 0.974 -4.990 -6.304 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.403 -5.301 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 50 0.882 -3.340 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.412 -5.985 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.397 -5.843 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.143 -3.177 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.101 -2.580 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.274 -4.186 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.797 -5.784 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.891 -4.232 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.890 -4.376 -1.894 1.00 0.00 H new ATOM 483 N ALA A 51 -1.101 -2.376 -6.346 1.00 0.00 N ATOM 484 CA ALA A 51 -1.831 -1.170 -6.775 1.00 0.00 C ATOM 485 C ALA A 51 -3.061 -1.473 -7.639 1.00 0.00 C ATOM 486 O ALA A 51 -4.169 -1.055 -7.309 1.00 0.00 O ATOM 487 CB ALA A 51 -0.905 -0.222 -7.540 1.00 0.00 C ATOM 0 H ALA A 51 -0.121 -2.388 -6.629 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.185 -0.699 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.463 0.662 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.078 0.077 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.513 -0.729 -8.422 1.00 0.00 H new ATOM 489 N MET A 52 -2.875 -2.350 -8.630 1.00 0.00 N ATOM 490 CA MET A 52 -3.961 -2.791 -9.508 1.00 0.00 C ATOM 491 C MET A 52 -5.049 -3.584 -8.776 1.00 0.00 C ATOM 492 O MET A 52 -6.215 -3.197 -8.817 1.00 0.00 O ATOM 493 CB MET A 52 -3.352 -3.603 -10.639 1.00 0.00 C ATOM 494 CG MET A 52 -2.740 -2.618 -11.629 1.00 0.00 C ATOM 495 SD MET A 52 -1.561 -3.416 -12.757 1.00 0.00 S ATOM 496 CE MET A 52 -1.616 -2.180 -14.026 1.00 0.00 C ATOM 0 H MET A 52 -1.972 -2.772 -8.845 1.00 0.00 H new ATOM 0 HA MET A 52 -4.469 -1.909 -9.899 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.592 -4.285 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.112 -4.214 -11.126 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.534 -2.149 -12.210 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.234 -1.823 -11.081 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.993 -2.492 -14.865 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.644 -2.052 -14.365 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.244 -1.235 -13.630 1.00 0.00 H new ATOM 498 N ALA A 53 -4.606 -4.527 -7.945 1.00 0.00 N ATOM 499 CA ALA A 53 -5.479 -5.315 -7.054 1.00 0.00 C ATOM 500 C ALA A 53 -6.284 -4.444 -6.073 1.00 0.00 C ATOM 501 O ALA A 53 -7.420 -4.766 -5.720 1.00 0.00 O ATOM 502 CB ALA A 53 -4.594 -6.273 -6.266 1.00 0.00 C ATOM 0 H ALA A 53 -3.619 -4.774 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.206 -5.843 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.212 -6.871 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.065 -6.930 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.872 -5.703 -5.681 1.00 0.00 H new ATOM 504 N LEU A 54 -5.696 -3.300 -5.713 1.00 0.00 N ATOM 505 CA LEU A 54 -6.263 -2.321 -4.767 1.00 0.00 C ATOM 506 C LEU A 54 -6.954 -1.131 -5.467 1.00 0.00 C ATOM 507 O LEU A 54 -7.451 -0.237 -4.807 1.00 0.00 O ATOM 508 CB LEU A 54 -5.076 -1.866 -3.905 1.00 0.00 C ATOM 509 CG LEU A 54 -5.459 -1.139 -2.605 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.280 -2.035 -1.680 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.208 -0.656 -1.888 1.00 0.00 C ATOM 0 H LEU A 54 -4.787 -3.017 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.056 -2.772 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.474 -2.739 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.445 -1.206 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.076 -0.282 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.532 -1.487 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.196 -2.339 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.699 -2.920 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.491 -0.143 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.574 -1.510 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.661 0.031 -2.534 1.00 0.00 H new ATOM 513 N ASN A 55 -7.134 -1.201 -6.787 1.00 0.00 N ATOM 514 CA ASN A 55 -7.759 -0.135 -7.630 1.00 0.00 C ATOM 515 C ASN A 55 -7.087 1.248 -7.510 1.00 0.00 C ATOM 516 O ASN A 55 -7.730 2.298 -7.413 1.00 0.00 O ATOM 517 CB ASN A 55 -9.270 0.000 -7.376 1.00 0.00 C ATOM 518 CG ASN A 55 -10.030 -1.299 -7.589 1.00 0.00 C ATOM 519 OD1 ASN A 55 -10.441 -1.660 -8.678 1.00 0.00 O ATOM 520 ND2 ASN A 55 -10.158 -2.039 -6.507 1.00 0.00 N ATOM 0 H ASN A 55 -6.847 -2.015 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.596 -0.479 -8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.431 0.345 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.677 0.764 -8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.614 -2.949 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.801 -1.702 -5.613 1.00 0.00 H new ATOM 522 N CYS A 56 -5.766 1.235 -7.530 1.00 0.00 N ATOM 523 CA CYS A 56 -4.958 2.466 -7.521 1.00 0.00 C ATOM 524 C CYS A 56 -3.728 2.337 -8.427 1.00 0.00 C ATOM 525 O CYS A 56 -3.470 1.295 -9.040 1.00 0.00 O ATOM 526 CB CYS A 56 -4.588 2.885 -6.093 1.00 0.00 C ATOM 527 SG CYS A 56 -3.463 1.743 -5.204 1.00 0.00 S ATOM 0 H CYS A 56 -5.213 0.378 -7.553 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.571 3.267 -7.935 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.123 3.870 -6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.506 2.988 -5.514 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.225 2.208 -4.013 1.00 0.00 H new ATOM 529 N ASP A 57 -2.917 3.393 -8.415 1.00 0.00 N ATOM 530 CA ASP A 57 -1.840 3.560 -9.395 1.00 0.00 C ATOM 531 C ASP A 57 -0.452 3.266 -8.788 1.00 0.00 C ATOM 532 O ASP A 57 -0.154 3.730 -7.685 1.00 0.00 O ATOM 533 CB ASP A 57 -1.969 4.971 -9.985 1.00 0.00 C ATOM 534 CG ASP A 57 -1.066 5.195 -11.196 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.110 5.531 -10.920 1.00 0.00 O ATOM 536 OD2 ASP A 57 -1.497 4.871 -12.320 1.00 0.00 O ATOM 0 H ASP A 57 -2.984 4.150 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.936 2.830 -10.199 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.005 5.145 -10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.725 5.704 -9.216 1.00 0.00 H new ATOM 538 N PRO A 58 0.404 2.528 -9.519 1.00 0.00 N ATOM 539 CA PRO A 58 1.779 2.184 -9.106 1.00 0.00 C ATOM 540 C PRO A 58 2.615 3.418 -8.733 1.00 0.00 C ATOM 541 O PRO A 58 3.028 3.586 -7.594 1.00 0.00 O ATOM 542 CB PRO A 58 2.388 1.452 -10.299 1.00 0.00 C ATOM 543 CG PRO A 58 1.179 0.791 -10.962 1.00 0.00 C ATOM 544 CD PRO A 58 0.074 1.841 -10.790 1.00 0.00 C ATOM 0 HA PRO A 58 1.766 1.571 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.893 2.140 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.127 0.715 -9.984 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.366 0.570 -12.013 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.919 -0.151 -10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.058 2.540 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.911 1.376 -10.745 1.00 0.00 H new ATOM 545 N VAL A 59 2.645 4.369 -9.666 1.00 0.00 N ATOM 546 CA VAL A 59 3.409 5.632 -9.549 1.00 0.00 C ATOM 547 C VAL A 59 2.918 6.426 -8.331 1.00 0.00 C ATOM 548 O VAL A 59 3.706 6.725 -7.436 1.00 0.00 O ATOM 549 CB VAL A 59 3.243 6.436 -10.848 1.00 0.00 C ATOM 550 CG1 VAL A 59 4.142 7.680 -10.914 1.00 0.00 C ATOM 551 CG2 VAL A 59 3.536 5.586 -12.098 1.00 0.00 C ATOM 0 H VAL A 59 2.133 4.291 -10.545 1.00 0.00 H new ATOM 0 HA VAL A 59 4.468 5.421 -9.402 1.00 0.00 H new ATOM 0 HB VAL A 59 2.199 6.750 -10.837 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.974 8.201 -11.857 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.904 8.346 -10.084 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.187 7.378 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.406 6.196 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.561 5.218 -12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.849 4.741 -12.133 1.00 0.00 H new ATOM 553 N TRP A 60 1.601 6.488 -8.177 1.00 0.00 N ATOM 554 CA TRP A 60 0.925 7.128 -7.036 1.00 0.00 C ATOM 555 C TRP A 60 1.363 6.632 -5.659 1.00 0.00 C ATOM 556 O TRP A 60 1.855 7.425 -4.859 1.00 0.00 O ATOM 557 CB TRP A 60 -0.588 6.983 -7.232 1.00 0.00 C ATOM 558 CG TRP A 60 -1.404 7.638 -6.106 1.00 0.00 C ATOM 559 CD1 TRP A 60 -1.583 8.945 -5.938 1.00 0.00 C ATOM 560 CD2 TRP A 60 -1.965 6.986 -5.015 1.00 0.00 C ATOM 561 NE1 TRP A 60 -2.222 9.164 -4.792 1.00 0.00 N ATOM 562 CE2 TRP A 60 -2.469 8.009 -4.188 1.00 0.00 C ATOM 563 CE3 TRP A 60 -2.052 5.629 -4.621 1.00 0.00 C ATOM 564 CZ2 TRP A 60 -3.080 7.693 -2.955 1.00 0.00 C ATOM 565 CZ3 TRP A 60 -2.643 5.320 -3.379 1.00 0.00 C ATOM 566 CH2 TRP A 60 -3.157 6.342 -2.552 1.00 0.00 C ATOM 0 H TRP A 60 0.951 6.088 -8.853 1.00 0.00 H new ATOM 0 HA TRP A 60 1.222 8.177 -7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.870 7.430 -8.185 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.842 5.924 -7.289 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.259 9.711 -6.627 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.483 10.082 -4.432 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.673 4.845 -5.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.483 8.475 -2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.703 4.291 -3.057 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -3.612 6.089 -1.606 1.00 0.00 H new ATOM 569 N LEU A 61 1.291 5.322 -5.434 1.00 0.00 N ATOM 570 CA LEU A 61 1.632 4.756 -4.112 1.00 0.00 C ATOM 571 C LEU A 61 3.085 5.004 -3.676 1.00 0.00 C ATOM 572 O LEU A 61 3.335 5.254 -2.501 1.00 0.00 O ATOM 573 CB LEU A 61 1.214 3.286 -3.956 1.00 0.00 C ATOM 574 CG LEU A 61 1.998 2.243 -4.759 1.00 0.00 C ATOM 575 CD1 LEU A 61 3.265 1.793 -4.025 1.00 0.00 C ATOM 576 CD2 LEU A 61 1.126 1.008 -4.944 1.00 0.00 C ATOM 0 H LEU A 61 1.006 4.634 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 61 1.022 5.325 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.288 3.025 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.163 3.203 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 61 2.275 2.700 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.792 1.054 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.913 2.653 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.993 1.352 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.674 0.258 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.861 0.600 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.218 1.281 -5.481 1.00 0.00 H new ATOM 578 N GLN A 62 3.952 5.189 -4.664 1.00 0.00 N ATOM 579 CA GLN A 62 5.415 5.327 -4.500 1.00 0.00 C ATOM 580 C GLN A 62 5.943 6.773 -4.637 1.00 0.00 C ATOM 581 O GLN A 62 7.001 7.093 -4.085 1.00 0.00 O ATOM 582 CB GLN A 62 6.064 4.402 -5.548 1.00 0.00 C ATOM 583 CG GLN A 62 7.312 3.703 -5.024 1.00 0.00 C ATOM 584 CD GLN A 62 8.622 4.205 -5.637 1.00 0.00 C ATOM 585 OE1 GLN A 62 8.910 4.027 -6.811 1.00 0.00 O ATOM 586 NE2 GLN A 62 9.457 4.785 -4.820 1.00 0.00 N ATOM 0 H GLN A 62 3.658 5.251 -5.639 1.00 0.00 H new ATOM 0 HA GLN A 62 5.678 5.046 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.338 3.652 -5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.324 4.986 -6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.358 3.831 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.222 2.634 -5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.200 4.926 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.367 5.098 -5.158 1.00 0.00 H new ATOM 588 N TYR A 63 5.240 7.588 -5.410 1.00 0.00 N ATOM 589 CA TYR A 63 5.646 8.958 -5.764 1.00 0.00 C ATOM 590 C TYR A 63 4.627 10.085 -5.507 1.00 0.00 C ATOM 591 O TYR A 63 4.915 11.246 -5.818 1.00 0.00 O ATOM 592 CB TYR A 63 6.011 8.957 -7.258 1.00 0.00 C ATOM 593 CG TYR A 63 7.199 8.044 -7.606 1.00 0.00 C ATOM 594 CD1 TYR A 63 8.479 8.376 -7.112 1.00 0.00 C ATOM 595 CD2 TYR A 63 7.017 7.066 -8.608 1.00 0.00 C ATOM 596 CE1 TYR A 63 9.608 7.735 -7.667 1.00 0.00 C ATOM 597 CE2 TYR A 63 8.146 6.434 -9.169 1.00 0.00 C ATOM 598 CZ TYR A 63 9.436 6.791 -8.690 1.00 0.00 C ATOM 599 OH TYR A 63 10.534 6.313 -9.325 1.00 0.00 O ATOM 0 H TYR A 63 4.348 7.317 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 63 6.474 9.195 -5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.141 8.642 -7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.245 9.976 -7.566 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.593 9.106 -6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.024 6.805 -8.941 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.598 7.970 -7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.033 5.694 -9.947 1.00 0.00 H new ATOM 0 HH TYR A 63 10.261 5.666 -10.009 1.00 0.00 H new ATOM 602 N GLY A 64 3.400 9.735 -5.104 1.00 0.00 N ATOM 603 CA GLY A 64 2.314 10.713 -4.839 1.00 0.00 C ATOM 604 C GLY A 64 1.412 11.090 -6.031 1.00 0.00 C ATOM 605 O GLY A 64 0.297 11.562 -5.841 1.00 0.00 O ATOM 0 H GLY A 64 3.122 8.766 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.681 10.312 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.766 11.627 -4.453 1.00 0.00 H new ATOM 607 N THR A 65 1.893 10.847 -7.251 1.00 0.00 N ATOM 608 CA THR A 65 1.182 11.240 -8.493 1.00 0.00 C ATOM 609 C THR A 65 0.454 10.078 -9.166 1.00 0.00 C ATOM 610 O THR A 65 1.045 9.086 -9.584 1.00 0.00 O ATOM 611 CB THR A 65 2.100 11.968 -9.498 1.00 0.00 C ATOM 612 OG1 THR A 65 1.359 12.259 -10.677 1.00 0.00 O ATOM 613 CG2 THR A 65 3.394 11.207 -9.831 1.00 0.00 C ATOM 0 H THR A 65 2.782 10.375 -7.418 1.00 0.00 H new ATOM 0 HA THR A 65 0.419 11.947 -8.168 1.00 0.00 H new ATOM 0 HB THR A 65 2.432 12.890 -9.021 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.935 12.723 -11.320 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.983 11.785 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.972 11.056 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.145 10.239 -10.267 1.00 0.00 H new ATOM 616 N LYS A 66 -0.835 10.318 -9.405 1.00 0.00 N ATOM 617 CA LYS A 66 -1.769 9.364 -10.028 1.00 0.00 C ATOM 618 C LYS A 66 -1.498 8.995 -11.508 1.00 0.00 C ATOM 619 O LYS A 66 -2.135 8.103 -12.051 1.00 0.00 O ATOM 620 CB LYS A 66 -3.177 9.941 -9.821 1.00 0.00 C ATOM 621 CG LYS A 66 -4.296 8.903 -9.880 1.00 0.00 C ATOM 622 CD LYS A 66 -4.274 7.932 -8.696 1.00 0.00 C ATOM 623 CE LYS A 66 -5.421 6.933 -8.863 1.00 0.00 C ATOM 624 NZ LYS A 66 -5.498 6.014 -7.728 1.00 0.00 N ATOM 0 H LYS A 66 -1.277 11.206 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.636 8.399 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.213 10.442 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.361 10.700 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.258 9.415 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.211 8.338 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.319 7.408 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.380 8.477 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.363 7.472 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.281 6.366 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.494 5.865 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.068 5.104 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.986 6.419 -6.918 1.00 0.00 H new ATOM 629 N ARG A 67 -0.450 9.568 -12.081 1.00 0.00 N ATOM 630 CA ARG A 67 -0.074 9.338 -13.490 1.00 0.00 C ATOM 631 C ARG A 67 0.441 7.924 -13.755 1.00 0.00 C ATOM 632 O ARG A 67 1.380 7.478 -13.108 1.00 0.00 O ATOM 633 CB ARG A 67 1.021 10.330 -13.922 1.00 0.00 C ATOM 634 CG ARG A 67 0.450 11.730 -14.076 1.00 0.00 C ATOM 635 CD ARG A 67 -0.651 11.793 -15.128 1.00 0.00 C ATOM 636 NE ARG A 67 -1.436 12.958 -14.696 1.00 0.00 N ATOM 637 CZ ARG A 67 -2.167 13.734 -15.493 1.00 0.00 C ATOM 638 NH1 ARG A 67 -1.799 13.723 -16.721 1.00 0.00 N ATOM 639 NH2 ARG A 67 -2.365 15.013 -15.332 1.00 0.00 N ATOM 0 H ARG A 67 0.173 10.209 -11.590 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.988 9.482 -14.066 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.822 10.338 -13.183 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.460 10.006 -14.865 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.054 12.066 -13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.250 12.418 -14.349 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.247 11.925 -16.131 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.250 10.883 -15.143 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.419 13.191 -13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.006 13.150 -17.011 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.299 14.287 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.942 15.499 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.943 15.527 -15.997 1.00 0.00 H new ATOM 642 N GLY A 68 -0.087 7.347 -14.832 1.00 0.00 N ATOM 643 CA GLY A 68 0.283 5.986 -15.312 1.00 0.00 C ATOM 644 C GLY A 68 1.776 5.768 -15.586 1.00 0.00 C ATOM 645 O GLY A 68 2.300 4.675 -15.355 1.00 0.00 O ATOM 0 H GLY A 68 -0.792 7.802 -15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.043 5.257 -14.570 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.271 5.779 -16.228 1.00 0.00 H new ATOM 647 N LYS A 69 2.452 6.801 -16.084 1.00 0.00 N ATOM 648 CA LYS A 69 3.893 6.746 -16.379 1.00 0.00 C ATOM 649 C LYS A 69 4.751 7.090 -15.167 1.00 0.00 C ATOM 650 O LYS A 69 4.492 8.060 -14.462 1.00 0.00 O ATOM 651 CB LYS A 69 4.252 7.646 -17.563 1.00 0.00 C ATOM 652 CG LYS A 69 3.894 6.929 -18.864 1.00 0.00 C ATOM 653 CD LYS A 69 4.336 7.738 -20.081 1.00 0.00 C ATOM 654 CE LYS A 69 3.306 8.806 -20.447 1.00 0.00 C ATOM 655 NZ LYS A 69 4.092 9.917 -20.990 1.00 0.00 N ATOM 0 H LYS A 69 2.022 7.701 -16.296 1.00 0.00 H new ATOM 0 HA LYS A 69 4.113 5.713 -16.648 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.713 8.591 -17.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.316 7.884 -17.545 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.369 5.948 -18.884 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.818 6.763 -18.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.296 8.212 -19.875 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.486 7.070 -20.929 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.592 8.431 -21.181 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.732 9.117 -19.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.455 10.691 -21.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.758 10.257 -20.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.622 9.592 -21.824 1.00 0.00 H new ATOM 660 N ALA A 70 5.700 6.199 -14.914 1.00 0.00 N ATOM 661 CA ALA A 70 6.706 6.330 -13.834 1.00 0.00 C ATOM 662 C ALA A 70 7.621 7.542 -14.044 1.00 0.00 C ATOM 663 O ALA A 70 8.526 7.554 -14.875 1.00 0.00 O ATOM 664 CB ALA A 70 7.507 5.026 -13.695 1.00 0.00 C ATOM 0 H ALA A 70 5.806 5.342 -15.457 1.00 0.00 H new ATOM 0 HA ALA A 70 6.176 6.507 -12.898 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.243 5.134 -12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.830 4.207 -13.454 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.017 4.811 -14.634 1.00 0.00 H new ATOM 666 N ALA A 71 7.113 8.625 -13.479 1.00 0.00 N ATOM 667 CA ALA A 71 7.750 9.957 -13.517 1.00 0.00 C ATOM 668 C ALA A 71 7.927 10.564 -12.107 1.00 0.00 C ATOM 669 O ALA A 71 6.914 10.586 -11.373 1.00 0.00 O ATOM 670 CB ALA A 71 6.899 10.871 -14.393 1.00 0.00 C ATOM 0 H ALA A 71 6.230 8.616 -12.968 1.00 0.00 H new ATOM 0 HA ALA A 71 8.752 9.854 -13.934 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.353 11.861 -14.434 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.839 10.457 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.897 10.949 -13.972 1.00 0.00 H new TER 672 ALA A 71